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Marmesin - isovalerrate
SpectraBase Compound ID 7wiJL8GldMq
InChI InChI=1S/C19H22O5/c1-11(2)7-18(21)24-19(3,4)16-9-13-8-12-5-6-17(20)23-14(12)10-15(13)22-16/h5-6,8,10-11,16H,7,9H2,1-4H3
InChIKey IYONQLUBVWYCJP-UHFFFAOYSA-N
Mol Weight 330.38 g/mol
Molecular Formula C19H22O5
Exact Mass 330.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9CWK4Hzugye
Name Marmesin - isovalerrate
Alternate Name(s) 7-[1'-Methyl-1'-(isovaleroyloxy)ethyl]-furo[2,3-7',8']benzopyran-2(2H)-one
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Formula C19H22O5
InChI InChI=1S/C19H22O5/c1-11(2)7-18(21)24-19(3,4)16-9-13-8-12-5-6-17(20)23-14(12)10-15(13)22-16/h5-6,8,10-11,16H,7,9H2,1-4H3
InChIKey IYONQLUBVWYCJP-UHFFFAOYSA-N
Molecular Weight 330.380 g/mol
SMILES c12OC(Cc2cc2c(c1)OC(=O)C=C2)C(OC(=O)CC(C)C)(C)C
SPLASH splash10-03di-2390000000-2cd378173302f7a103fe
Source of Spectrum X4-12-587-0
Wiley ID 1585102